Search results for "Absorption"
showing 10 items of 2701 documents
Theoretical study of excitation transfer from modified B800 rings of the LH II antenna complex of Rps. acidophila
2002
The recently developed configuration interaction exciton model has been applied to study spectral shifts and B800 to B850 energy transfer rates in a series of modified LH2 light harvesting antenna complexes of the purple bacterium Rhodopseudomonas acidophila. Complexes, where the in vivo B800 bacteriochlorophyll a chromophores are exchanged with different tetrapyrroles including chlorophyll a were studied. Absorption spectra of the modified complexes were simulated by using quantum chemical methods to evaluate site and interaction energies and exciton theory to generate the eigenstates of the chromophore assemblies. Four experimental input parameters: the transition moment of Bchl a, the di…
Quantitative Structure-Antioxidant Activity Models of Isoflavonoids: A Theoretical Study
2015
Seventeen isoflavonoids from isoflavone, isoflavanone and isoflavan classes are selected from Dalbergia parviflora. The ChEMBL database is representative from these molecules, most of which result highly drug-like. Binary rules appear risky for the selection of compounds with high antioxidant capacity in complementary xanthine/xanthine oxidase, ORAC, and DPPH model assays. Isoflavonoid structure-activity analysis shows the most important properties (log P, log D, pKa, QED, PSA, NH + OH ≈ HBD, N + O ≈ HBA). Some descriptors (PSA, HBD) are detected as more important than others (size measure Mw, HBA). Linear and nonlinear models of antioxidant potency are obtained. Weak nonlinear relationship…
2p x-ray absorption spectroscopy of 3d transition metal systems
2021
Abstract This review provides an overview of the different methods and computer codes that are used to interpret 2p x-ray absorption spectra of 3d transition metal ions. We first introduce the basic parameters and give an overview of the methods used. We start with the semi-empirical multiplet codes and compare the different codes that are available. A special chapter is devoted to the user friendly interfaces that have been written on the basis of these codes. Next we discuss the first principle codes based on band structure, including a chapter on Density Functional theory based approaches. We also give an overview of the first-principle multiplet codes that start from a cluster calculati…
Laser induced thermal profiles in thermally and optically thin films
1988
The temperature field generated by the weak absorption of a gaussian laser beam in an optically and thermally thin film bounded by two transparent plates is discussed. An analytical solution of the problem is presented together with an algorithm for the numerical integration. The influence of the finite thermal conductivity of the plates is shown in an example.
Far-infrared laser on quantum dots created by electric-field focusing
2003
The new proposal of a far-infrared laser employing intraband transitions in the system of quantum dots is briefly described. The conditions for inversion of population for electrons in the quantum dot matrix created by an electric-field focusing in narrow GaAs/AlGaAs quantum well are discussed. The laser is planned to be pumped by periodically repeated rapid creation and destruction of the quantum dot matrix allowing for repeated filling of the dot levels with electrons from a quantum well. Some major results of the analysis of the kinetics of the electron-photon system are presented.
Radiation processes in oxygen-deficient silica glasses: Is ODC(I) a precursor of E′-center?
2006
Abstract The accumulation of radiation-induced defects under non-destructive X-ray and destructive cathodoexcitation was studied in pure silica KS-4V glasses possessing an absorption band at 7.6 eV. The correspondence between the existence of this band and the creation of the E′-center by radiation was checked. Detection of induced defects was accomplished by measurement of the luminescence during irradiation, post irradiation afterglow or phosphorescence, induced optical absorption, and thermally stimulated luminescence. In all samples, these observed phenomena associated with charge trapping and recombination on the oxygen-deficient luminescence center. Others centers of luminescence were…
The Medium-Depending Fluorescence of Quadrupolar Donor-Acceptor-Donor Substituted Distyrylbenzenes with High Two-Photon Absorption Cross-Sections
2006
ABSTRACT1,4-Distyrylbenzenes with terminal dialkylamino groups and a central 2,5-disubstitution with electron-accepting groups were prepared via twofold Horner-olefination. These chromophores with a quadrupolar donor-acceptor-donor substitution and C2-symmetry absorb in the violet to green region of the visible spectrum exhibit large two-photon-absorption cross-sections when irrdiated in the NIR. Whereas a variation of the solvent polarity only slightly alters the absorption spectra, the fluorescence appears to be highly responsive. Besides a positive solvatochromism, the emission is very sensitive towards protonation. Quenching or appearance of new emitting species depends on the substitut…
Photoluminescence in gamma-irradiated alpha-quartz investigated by synchrotron radiation
2004
Abstract We report an experimental investigation of the photoluminescence, under excitation by synchrotron radiation within the absorption band at 7.6 eV , induced in γ-irradiated α-quartz. Two emissions centered at 4.9 and 2.7 eV are observed at low temperature: the former decreases above 40 K , whereas the second band exhibits an initial slight increase and its quenching is effective above 100 K . Furthermore, the decay kinetics of both emissions occur in a time scale of nanoseconds: at T=17.5 K we measured a lifetime τ∼1.0 ns for the photoluminescence at 4.9 eV and τ∼3.6 ns for that at 2.7 eV . These results give new insight on the optical properties associated with defects peculiar of c…
Modeling the interactions between light and crystallizing polymer during fast cooling
2004
In this work, an experimental set-up able to quench thin polymer films whilst recording the sample thermal history as well as the overall and depolarized light intensities of a laser beam emerging from the sample is described. The interactions between the light beam and the crystallizing material have been modeled accounting for absorption and scattering phenomena. The proposed model was found to be able to reproduce the ex- perimentally observed behavior of light intensities and it was validated by comparison with conventional DSC analysis. On the basis of this model, a method to obtain crystallinity evo- lution is proposed and applied to some fast cooling runs. The method was applied to q…
Transintestinal secretion of ciprofloxacin, grepafloxacin and sparfloxacin: in vitro and in situ inhibition studies.
2003
The influence of the secretion process on the absorption of ciprofloxacin, grepafloxacin and sparfloxacin has been evaluated by means of inhibition studies. Two well known P-glycoprotein inhibitors (cyclosporine, verapamil), a mixed inhibitor of P-glycoprotein and the organic cation transporter OCT1 (quinidine) and a well established MRP substrate (p-aminohipuric acid) have been selected in order to distinguish the possible carriers implicated. An in situ rat gut perfusion model and CACO-2 permeability studies are used. Both methods suggest the involvement of several types of efflux transporters for every fluoroquinolone. The relevance of the secretory pathway depends on the intrinsic perme…